Releases: mlund/faunus
Releases · mlund/faunus
Version 2.15.0
What's Changed
Full Changelog: v2.14.0...v2.15.0
Version 2.14.0
Version 2.13.0
What's Changed
- Voronoi surface area analysis using Voronota-LT by @mlund in #444
- Version bump of
spdlog
,pybind11
,nlohmann_json
. - Dangling reference fix (b0fee39)
Full Changelog: v2.12.0...v2.13.0
Version 2.12.0
What's Changed
- Write state file for minimum system energy by @mlund in #442
- changed misspelled mininum to minimum in files by @IVinterbladh in #443
yason.py
support script now requires theruamel.yaml
python package
Full Changelog: v2.11.0...v2.12.0
Version 2.11.0
What's Changed
- Add SASA analysis and test by @Smutekj in #399
- Add
save_min_conf
tosystemenergy
analysis to save minimum energy configuration. By @mlund in #440 - Use upstream ruamel.yaml instead of ruamel_yaml by @mbargull in #435
- Update versions of external libraries
- Fix readthedocs setup
- Fix Github CI for C++20 by @mlund in #439
New Contributors
Full Changelog: v2.10.1...v2.11.0
Version 2.10.1
Version 2.10.0
What's Changed
- Support for Gibbs ensemble for studying phase equilibria.
- Updated documentation about multipole analysis by @IVinterbladh in #432
- Add Random slump parameter for tempering by @IVinterbladh in #434. This should make it possible to use grand canonical schemes with parallel tempering.
Full Changelog: v2.9.1...v2.10.0
Version 2.9.1
Changes
- Fix "progresstracker" compilation error on some systems, incl.
Full Changelog: v2.9.0...v2.9.1
Version 2.9.0
What's Changed
- Add a
preface
section to the user input which may contain a list of actions to be run prior to simulation. The discrete angle
analysis below is an example of this. - Added
--norun
command line option to skip simulation. - Discrete angle integration by @mlund in #427
This allows for explicit angular integration of two rotating, rigid bodies. Energies and quaternions are streamed to disk and free energies and thermally averaged energies are reported. - Update minimum cmake version stated in manual by @SHervoe-Hansen in #424
- Add VSC dev container config files by @mlund in #425
- Enabled OpenMP by default
Full Changelog: v2.8.0...v2.9.0
Version 2.8.0
What's Changed
- Fix speciation moves for parallel tempering by @mlund in #419
- Custom group to group pair-potential by @mlund in #421
- Rename namespace and base classes by @mlund in #422
- Upgrade nanobench from v3 to v4 by @mlund in #423
- Table cleanup by @mlund in #420
- Fix GCC warnings
Full Changelog: v2.7.0...v2.8.0